SCHEMBL9173458

SCHEMBL9173458

O=C1C2=C(CCC=C2)C(=O)C2=C1CC=CC2

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20897220 0.87 TRPA1 (0.39) TRPA1ALDH1A1
SCHEMBL15160718 0.80 TRPA1 (0.40) TRPA1ALDH1A1
SCHEMBL18032684 0.74
SCHEMBL11288297 0.74 PTPRA (0.32)
SCHEMBL18032692 0.72
SCHEMBL225315 0.72 MEN1 (0.41) TRPA1ALDH1A1
SCHEMBL18032681 0.69
SCHEMBL12569034 0.69
SCHEMBL19336228 0.69 ALDH1A1 (0.42) TRPA1ALDH1A1
SCHEMBL9181176 0.68 PTPRC (0.44) TRPA1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385842-A Anthraquinones as inhibitors of sulfide production from sulfate-reducing bacteria E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-31 US claimed
CN-113855735-B Composition for promoting metabolic digestion and preparation method thereof 沈阳美素生物科技有限公司 2022-11-08 CN disclosed
CN-113855735-A Composition for promoting metabolic digestion and preparation method thereof 辽宁泰阳医药科技开发有限公司 2021-12-31 CN disclosed
CN-108350274-B Curable organopolysiloxane composition and cured product thereof 陶氏东丽株式会社 2020-08-14 CN disclosed
CN-1107491-A Pigment and its preparing method WANG DONGZHI (CN) 1995-08-30 CN disclosed